Chemical Properties of Cyclopentyl(hydroxy)phenylacetic acid, methyl ester

InChI

InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3

InChI Key

FGMUSNHTKNGVQD-UHFFFAOYSA-N

Formula

C14H18O3

SMILES

COC(=O)C(O)(c1ccccc1)C1CCCC1

Molecular Weight¹

234.30

Other Names

• Alpha-cyclopentylmandelic acid, methyl ester
• Mandelic acid, a-cyclopentyl-, methyl ester
• Methyl cyclopentyl(hydroxy)phenylacetate
• Methyl cyclopentylphenylglycolate
• «alpha»-Cyclopentylmandelic acid, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.37; 634.62]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.80000e+01
Coefficient B			1.49162e+00
Coefficient C			-1.00400e-03
Coefficient D			2.45000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.37	J/mol×K	273.00	Calculated Property
Cp,gas	314.89	J/mol×K	353.78	Calculated Property
Cp,gas	380.70	J/mol×K	434.56	Calculated Property
Cp,gas	437.58	J/mol×K	515.33	Calculated Property
Cp,gas	486.30	J/mol×K	596.11	Calculated Property
Cp,gas	527.63	J/mol×K	676.89	Calculated Property
Cp,gas	562.36	J/mol×K	757.67	Calculated Property
Cp,gas	591.25	J/mol×K	838.44	Calculated Property
Cp,gas	615.08	J/mol×K	919.22	Calculated Property
Cp,gas	634.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034413; 0.0000620]	Pa×s	[390.43; 650.52]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.57194e+01
Coefficient B			3.92285e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			390.43
Temperature range, max.			650.52
η	0.0034413	Pa×s	390.43	Calculated Property
η	0.0017219	Pa×s	419.33	Calculated Property
η	0.0009420	Pa×s	448.23	Calculated Property
η	0.0005544	Pa×s	477.13	Calculated Property
η	0.0003467	Pa×s	506.03	Calculated Property
η	0.0002280	Pa×s	534.92	Calculated Property
η	0.0001566	Pa×s	563.82	Calculated Property
η	0.0001115	Pa×s	592.72	Calculated Property
η	0.0000820	Pa×s	621.62	Calculated Property
η	0.0000620	Pa×s	650.52	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentyl(hydroxy)phenylacetic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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